4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine

C19H26N8 — CID 72890876

About 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine

4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine (PubChem CID 72890876) has the molecular formula C19H26N8 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine.

Molecular Properties

• Compound Name: 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine
• PubChem CID: 72890876
• Molecular Formula: C19H26N8
• Molecular Weight: 366.47 g/mol
• Exact Mass: 366.23
• IUPAC Name: 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine
• SMILES: Cc1cnc(CN2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)[nH]1
• InChI: InChI=1S/C19H26N8/c1-14-10-21-17(22-14)11-25-7-4-15(5-8-25)19-24-23-18(27(19)16-2-3-16)12-26-9-6-20-13-26/h6,9-10,13,15-16H,2-5,7-8,11-12H2,1H3,(H,21,22)
• InChIKey: SVXKBSBLMGQLIB-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 80.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.47
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine?

The IUPAC name of 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine (CID 72890876) is 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine.

What is the SMILES notation for 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine?

The canonical SMILES for 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine is Cc1cnc(CN2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)[nH]1.

What is the InChIKey of 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine?

The InChIKey is SVXKBSBLMGQLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8/c1-14-10-21-17(22-14)11-25-7-4-15(5-8-25)19-24-23-18(27(19)16-2-3-16)12-26-9-6-20-13-26/h6,9-10,13,15-16H,2-5,7-8,11-12H2,1H3,(H,21,22).

What are the key properties of 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine?

4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine has a molecular weight of 366.47 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 72890876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).